Cas no 145349-17-3 (2-Fluoro-2-methylpropyl Trifluoromethanesulfonate)

2-Fluoro-2-methylpropyl Trifluoromethanesulfonate structure
145349-17-3 structure
Product Name:2-Fluoro-2-methylpropyl Trifluoromethanesulfonate
CAS No:145349-17-3
MF:C5H8F4O3S
MW:224.17383480072
CID:1318981
PubChem ID:12165534
Update Time:2025-07-22

2-Fluoro-2-methylpropyl Trifluoromethanesulfonate Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, 2-fluoro-2-methylpropyl ester
    • 2-fluoro-2-methylpropyl trifluoromethane sulfonate
    • trifluoro-methanesulfonic acid 2-fluoro-2-methyl-propyl ester
    • OJFXAMILNHYNSV-UHFFFAOYSA-N
    • EN300-746684
    • 2-fluoro-2-methylpropyl trifluoromethanesulfonate
    • SCHEMBL1067286
    • DB-228048
    • AT13175
    • (2-fluoro-2-methylpropyl) trifluoromethanesulfonate
    • Trifluoromethanesulfonic acid 2-fluoro-2-methylpropyl ester
    • 2Fluoro-2-methylpropyl trifluoromethanesulfonate
    • (2-fluoro-2-methyl-propyl)trifluoromethanesulfonate
    • 2-fluoro-2-methylpropyltrifluoromethanesulfonate
    • 145349-17-3
    • 2-fluoro-2-methyl-propyltriflate
    • AKOS028108846
    • 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate
    • Inchi: 1S/C5H8F4O3S/c1-4(2,6)3-12-13(10,11)5(7,8)9/h3H2,1-2H3
    • InChI Key: OJFXAMILNHYNSV-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)OCC(C)(C)F

Computed Properties

  • Exact Mass: 224.01304
  • Monoisotopic Mass: 224.01302793g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 261
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.397±0.06 g/cm3(Predicted)
  • Boiling Point: 80 °C(Press: 55-60 Torr)
  • PSA: 43.37

2-Fluoro-2-methylpropyl Trifluoromethanesulfonate Pricemore >>

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Additional information on 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate

Comprehensive Overview of 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate (CAS No. 145349-17-3)

2-Fluoro-2-methylpropyl Trifluoromethanesulfonate (CAS No. 145349-17-3) is a highly specialized fluorinated organic compound that has garnered significant attention in advanced chemical synthesis and material science. This compound, often referred to as a fluorinated sulfonate ester, is widely utilized as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty materials. Its unique molecular structure, featuring both fluoro and trifluoromethanesulfonate groups, imparts exceptional reactivity and stability, making it a valuable asset in modern synthetic chemistry.

The growing demand for fluorinated compounds in the pharmaceutical industry has positioned 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate as a critical building block. Researchers and manufacturers are increasingly exploring its applications in the development of next-generation drugs, particularly those targeting metabolic disorders and central nervous system (CNS) diseases. The compound's ability to introduce fluorine atoms into molecular frameworks enhances the bioavailability and metabolic stability of drug candidates, aligning with the industry's focus on precision medicine and personalized therapeutics.

In addition to its pharmaceutical applications, 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate plays a pivotal role in the synthesis of high-performance materials. Its incorporation into polymers and coatings improves their resistance to extreme temperatures, chemicals, and environmental degradation. This has led to its adoption in industries such as aerospace, electronics, and renewable energy, where durability and performance are paramount. The compound's versatility also extends to catalysis, where it serves as a reagent in asymmetric synthesis and cross-coupling reactions.

From an environmental and sustainability perspective, the use of fluorinated compounds like 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate is being scrutinized due to their persistence in ecosystems. However, advancements in green chemistry and sustainable synthesis are addressing these concerns by developing more efficient and eco-friendly production methods. Researchers are also investigating the potential of biodegradable alternatives to mitigate environmental impact while maintaining the compound's beneficial properties.

The synthesis and handling of 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate require specialized expertise due to its reactive nature. Proper storage conditions, such as inert atmospheres and low temperatures, are essential to maintain its stability. Analytical techniques like NMR spectroscopy, mass spectrometry, and HPLC are commonly employed to characterize and ensure the purity of the compound, which is critical for its performance in downstream applications.

As the chemical industry continues to evolve, 2-Fluoro-2-methylpropyl Trifluoromethanesulfonate remains at the forefront of innovation. Its applications in drug discovery, material science, and catalysis underscore its importance in addressing global challenges such as disease treatment, energy efficiency, and environmental sustainability. With ongoing research and development, this compound is poised to play an even greater role in shaping the future of science and technology.

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